1,3-bis(1-hydroxypropyl)pyrrolidin-2-one

C10H19NO3 — CID 19026852

IUPAC1,3-bis(1-hydroxypropyl)pyrrolidin-2-one
SMILESCCC(O)C1CCN(C(O)CC)C1=O
InChIInChI=1S/C10H19NO3/c1-3-8(12)7-5-6-11(10(7)14)9(13)4-2/h7-9,12-13H,3-6H2,1-2H3
InChIKeyIJMFVYXGEXDEBN-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.33
Rot. Bonds4

About 1,3-bis(1-hydroxypropyl)pyrrolidin-2-one

1,3-bis(1-hydroxypropyl)pyrrolidin-2-one (PubChem CID 19026852) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1,3-bis(1-hydroxypropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1,3-bis(1-hydroxypropyl)pyrrolidin-2-one
PubChem CID19026852
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1,3-bis(1-hydroxypropyl)pyrrolidin-2-one
SMILESCCC(O)C1CCN(C(O)CC)C1=O
InChIInChI=1S/C10H19NO3/c1-3-8(12)7-5-6-11(10(7)14)9(13)4-2/h7-9,12-13H,3-6H2,1-2H3
InChIKeyIJMFVYXGEXDEBN-UHFFFAOYSA-N
XLogP0.33
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1-hydroxypropyl)pyrrolidin-2-one?
The IUPAC name of 1,3-bis(1-hydroxypropyl)pyrrolidin-2-one (CID 19026852) is 1,3-bis(1-hydroxypropyl)pyrrolidin-2-one.
What is the SMILES notation for 1,3-bis(1-hydroxypropyl)pyrrolidin-2-one?
The canonical SMILES for 1,3-bis(1-hydroxypropyl)pyrrolidin-2-one is CCC(O)C1CCN(C(O)CC)C1=O.
What is the InChIKey of 1,3-bis(1-hydroxypropyl)pyrrolidin-2-one?
The InChIKey is IJMFVYXGEXDEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-8(12)7-5-6-11(10(7)14)9(13)4-2/h7-9,12-13H,3-6H2,1-2H3.
What are the key properties of 1,3-bis(1-hydroxypropyl)pyrrolidin-2-one?
1,3-bis(1-hydroxypropyl)pyrrolidin-2-one has a molecular weight of 201.27 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1-hydroxypropyl)pyrrolidin-2-one is sourced from PubChem (CID 19026852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).